bump ruff target-version = "py311"

prev 3.9

.pre-commit-config.yaml

@@ -1,13 +1,14 @@
 ci:
   autoupdate_schedule: quarterly
+  skip: [pyright]
 
 default_stages: [commit]
 
 default_install_hook_types: [pre-commit, commit-msg]
 
 repos:
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: v0.3.3
+    rev: v0.3.4
     hooks:
       - id: ruff
         args: [--fix]
@@ -56,7 +57,7 @@ repos:
         exclude: ^(site/src/figs/.+\.svelte|data/wbm/20.+\..+|site/src/(routes|figs).+\.(yaml|json)|changelog.md)$
 
   - repo: https://github.com/pre-commit/mirrors-eslint
-    rev: v9.0.0-beta.2
+    rev: v9.0.0-rc.0
     hooks:
       - id: eslint
         types: [file]
@@ -80,7 +81,7 @@ repos:
       - id: check-github-actions
 
   - repo: https://github.com/RobertCraigie/pyright-python
-    rev: v1.1.355
+    rev: v1.1.356
     hooks:
       - id: pyright
         args: [--level, error]

matbench_discovery/__init__.py

@@ -1,7 +1,5 @@
 """Global variables used all across the matbench_discovery package."""
 
-from __future__ import annotations
-
 import json
 import os
 import warnings

matbench_discovery/data.py

@@ -1,27 +1,23 @@
-from __future__ import annotations
-
 import gzip
 import json
 import os
 import pickle
 import sys
 import urllib.error
 import urllib.request
+from collections.abc import Callable
 from glob import glob
-from typing import TYPE_CHECKING, Any, Callable
+from pathlib import Path
+from typing import Any
 
 import pandas as pd
 from monty.json import MontyDecoder
+from pymatgen.analysis.phase_diagram import PatchedPhaseDiagram
 from tqdm import tqdm
 
 from matbench_discovery import FIGSHARE_DIR
 from matbench_discovery.enums import Key
 
-if TYPE_CHECKING:
-    from pathlib import Path
-
-    from pymatgen.analysis.phase_diagram import PatchedPhaseDiagram
-
 # ruff: noqa: T201
 
 # repo URL to raw files on GitHub

matbench_discovery/enums.py

@@ -1,5 +1,3 @@
-from __future__ import annotations
-
 from enum import StrEnum, unique
 from typing import Self
 

matbench_discovery/metrics.py

@@ -2,21 +2,14 @@
 positive/negative and compute performance metrics.
 """
 
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
+from collections.abc import Sequence
 
 import numpy as np
+import pandas as pd
 from sklearn.metrics import r2_score
 
 from matbench_discovery import STABILITY_THRESHOLD
 
-if TYPE_CHECKING:
-    from collections.abc import Sequence
-
-    import pandas as pd
-
-
 __author__ = "Janosh Riebesell"
 __date__ = "2023-02-01"
 

matbench_discovery/plots.py

@@ -1,11 +1,10 @@
 """Plotting functions for analyzing model performance on materials discovery."""
 
-from __future__ import annotations
-
 import functools
 import math
 from collections import defaultdict
-from typing import TYPE_CHECKING, Any, Literal
+from collections.abc import Sequence
+from typing import Any, Literal
 
 import matplotlib.pyplot as plt
 import numpy as np
@@ -23,9 +22,6 @@
 from matbench_discovery import STABILITY_THRESHOLD
 from matbench_discovery.metrics import classify_stable
 
-if TYPE_CHECKING:
-    from collections.abc import Sequence
-
 __author__ = "Janosh Riebesell"
 __date__ = "2022-08-05"
 

matbench_discovery/preds.py

@@ -1,6 +1,5 @@
-from __future__ import annotations
-
-from typing import TYPE_CHECKING, Any, Literal
+from collections.abc import Sequence
+from typing import Any, Literal
 
 import pandas as pd
 from tqdm import tqdm
@@ -11,9 +10,6 @@
 from matbench_discovery.metrics import stable_metrics
 from matbench_discovery.plots import plotly_colors, plotly_line_styles, plotly_markers
 
-if TYPE_CHECKING:
-    from collections.abc import Sequence
-
 """Centralize data-loading and computing metrics for plotting scripts"""
 
 __author__ = "Janosh Riebesell"

matbench_discovery/slurm.py

@@ -1,12 +1,7 @@
-from __future__ import annotations
-
 import os
 import subprocess
 import sys
-from typing import TYPE_CHECKING
-
-if TYPE_CHECKING:
-    from collections.abc import Sequence
+from collections.abc import Sequence
 
 # taken from https://slurm.schedmd.com/job_array.html#env_vars, lower-cased and
 # and removed the SLURM_ prefix

matbench_discovery/structure.py

@@ -1,11 +1,5 @@
-from __future__ import annotations
-
-from typing import TYPE_CHECKING
-
 import numpy as np
-
-if TYPE_CHECKING:
-    from pymatgen.core import Structure
+from pymatgen.core import Structure
 
 __author__ = "Janosh Riebesell"
 __date__ = "2022-12-02"

models/alignn/test_alignn.py

@@ -1,6 +1,4 @@
 # %%
-from __future__ import annotations
-
 import json
 import os
 from importlib.metadata import version

models/alignn/train_alignn.py

@@ -1,6 +1,4 @@
 # %%
-from __future__ import annotations
-
 import json
 import os
 from importlib.metadata import version

models/alignn_ff/alignn_ff_relax.py

@@ -1,6 +1,4 @@
 # %%
-from __future__ import annotations
-
 import os
 
 import numpy as np

models/alignn_ff/test_alignn_ff.py

@@ -1,6 +1,4 @@
 # %%
-from __future__ import annotations
-
 import json
 import os
 from glob import glob

models/bowsr/join_bowsr_results.py

@@ -1,6 +1,4 @@
 # %%
-from __future__ import annotations
-
 import os
 from glob import glob
 

models/bowsr/test_bowsr.py

@@ -1,6 +1,4 @@
 # %%
-from __future__ import annotations
-
 import contextlib
 import os
 from importlib.metadata import version

models/cgcnn/test_cgcnn.py

@@ -1,6 +1,4 @@
 # %%
-from __future__ import annotations
-
 import os
 from importlib.metadata import version
 

models/chgnet/ctk_structure_viewer.py

@@ -1,5 +1,3 @@
-from __future__ import annotations
-
 import pandas as pd
 from crystal_toolkit.helpers.utils import hook_up_fig_with_struct_viewer
 

models/chgnet/ctk_trajectory_viewer.py

@@ -1,15 +1,14 @@
 # %%
-from __future__ import annotations
-
 import os
 import sys
-from typing import TYPE_CHECKING, Callable
+from collections.abc import Callable
 
 import crystal_toolkit.components as ctc
 import numpy as np
 import pandas as pd
 import plotly.graph_objects as go
 from chgnet.model import StructOptimizer as ChgnetRelaxer
+from chgnet.model.dynamics import TrajectoryObserver
 from crystal_toolkit.settings import SETTINGS
 from dash import Dash, dcc, html
 from dash.dependencies import Input, Output
@@ -19,9 +18,6 @@
 from matbench_discovery.data import df_wbm
 from matbench_discovery.enums import Key
 
-if TYPE_CHECKING:
-    from chgnet.model.dynamics import TrajectoryObserver
-
 # ruff: noqa: T201
 __author__ = "Janosh Riebesell"
 __date__ = "2023-03-22"

models/chgnet/join_chgnet_results.py

@@ -3,8 +3,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import os
 from glob import glob
 

models/chgnet/test_chgnet.py

@@ -6,8 +6,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import os
 from importlib.metadata import version
 from typing import Any, Literal

models/m3gnet/join_m3gnet_results.py

@@ -3,8 +3,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import os
 from glob import glob
 from typing import Literal

models/m3gnet/test_m3gnet.py

@@ -5,8 +5,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import os
 import warnings
 from importlib.metadata import version

models/mace/join_mace_results.py

@@ -3,8 +3,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import os
 from glob import glob
 

models/mace/test_mace.py

@@ -1,6 +1,4 @@
 # %%
-from __future__ import annotations
-
 import os
 from importlib.metadata import version
 from typing import Any, Literal

models/mace/train_mace.py

@@ -12,8 +12,6 @@
 pip install git+https://github.com/ACEsuit/mace@foundations
 """
 
-from __future__ import annotations
-
 import ast
 import json
 import os

models/megnet/test_megnet.py

@@ -5,8 +5,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import os
 from importlib.metadata import version
 

models/voronoi_rf/join_voronoi_features.py

@@ -3,8 +3,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import os
 from glob import glob
 

models/wrenformer/test_wrenformer.py

@@ -4,8 +4,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import os
 import sys
 from importlib.metadata import version

pyproject.toml

@@ -77,14 +77,15 @@ matbench_discovery = ["figshare/*"]
 universal = true
 
 [tool.ruff]
-target-version = "py39"
+target-version = "py311"
 
 [tool.ruff.lint]
 select = ["ALL"]
 ignore = [
   "ANN101",
   "ANN102",
   "ANN401",
+  "B905",    # zip without explicit strict
   "BLE001",
   "C408",    # unnecessary-collection-call
   "C901",
@@ -99,6 +100,7 @@ ignore = [
   "FBT002",
   "FIX002",
   "INP001",
+  "ISC001",
   "N806",    # non-lowercase-variable-in-function
   "PD901",   # pandas-df-variable-name
   "PERF203", # try-except-in-loop

scripts/model_figs/compile_model_stats.py

@@ -3,8 +3,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import re
 from typing import Any
 

scripts/model_figs/metrics_tables.py

@@ -3,8 +3,6 @@
 """
 
 # %%
-from __future__ import annotations
-
 import json
 
 import numpy as np